[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone

Systemtic Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-(2-phenyl-4-quinolyl)methanone Formula: C29H26N4OS MolecularWeight: 478.60794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C29H26N4OS/c1-2-20-11-8-14-26-27(20)31-29(35-26)33-17-15-32(16-18-33)28(34)23-19-25(21-9-4-3-5-10-21)30-24-13-7-6-12-22(23)24/h3-14,19H,2,15-18H2,1H3